QQ客服 官方微博 反馈留言

	Structural evolution of linn+ (n=2, 4, 6, 8, and 10) clusters: mass spectrometry and theoretical calculations
	Ge, Zhongxue1,2; Ding, Kewei1,2; Li, Yisu3; Xu, Hongguang4; Chen, Zhaoqiang3; Ma, Yiding2; Li, Taoqi2; Zhu, Weiliang3; Zheng, Weijun4
刊名	Rsc advances
	2019
卷号	9期号:12页码:6762-6769
ISSN号	2046-2069
DOI	10.1039/c9ra00439d
通讯作者	Ge, zhongxue(gzx204@sina.com.cn) ; Zhu, weiliang(wlzhu@mail.shcnc.ac.cn) ; Zheng, weijun(zhengwj@iccas.ac.cn)
英文摘要	Mixed nitrogen-lithium cluster cations linn+ were generated by laser vaporization and analyzed by time-of-flight mass spectrometry. it is found that lin8+ has the highest ion abundance among the linn+ ions in the mass spectrum. density functional calculations were conducted to search for the stable structures of the li-n clusters. the theoretical results show that the most stable isomers of linn+ clusters are in the form of li+(n-2)(n/2), and the order of their calculated binding energies is consistent with that of li-n-2 bond lengths. the most stable structures of linn+ evolve from one-dimensional linear type (c-v, n = 2; d-h, n = 4), to two-dimensional branch type (d-3h, n = 6), then to three-dimensional tetrahedral (t-d, n = 8) and square pyramid (c-4v, n = 10) types. further natural bond orbital analyses show that electrons are transferred from the lone pair on n of every n-2 unit to the empty orbitals of lithium atom in lin2-8+, while in lin10+, electrons are transferred from the bonding orbital of the li-n bonds to the antibonding orbital of the other li-n bonds. in both cases, the n-2 units become dipoles and strongly interact with li+. the average second-order perturbation stabilization energy for lin8+ is the highest among the observed linn+ clusters. for neutral lin2-8 clusters, the most stable isomers were also formed by a li atom and n/2 number of n-2 units, while that of lin10 is in the form of li+(n-2)(3)((1)-n-4).
WOS关键词	NONCOVALENT INTERACTIONS ; IR SPECTROSCOPY ; BINARY AZIDES ; COORDINATION ; STABILITY ; COMPLEXES ; NITROGEN ; LIGAND ; ION ; N-4
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000461567800039
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2372721
专题	大连化学物理研究所
通讯作者	Ge, Zhongxue; Zhu, Weiliang; Zheng, Weijun
作者单位	1.State Key Lab Fluorine & Nitrogen Chem, Xian 710065, Shaanxi, Peoples R China 2.Xian Modern Chem Res Inst, Xian 710065, Shaanxi, Peoples R China 3.Chinese Acad Sci, Drug Discovery & Design Ctr, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China 4.Chinese Acad Sci, BNLMS, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Ge, Zhongxue,Ding, Kewei,Li, Yisu,et al. Structural evolution of linn+ (n=2, 4, 6, 8, and 10) clusters: mass spectrometry and theoretical calculations[J]. Rsc advances,2019,9(12):6762-6769.
APA	Ge, Zhongxue.,Ding, Kewei.,Li, Yisu.,Xu, Hongguang.,Chen, Zhaoqiang.,...&Zheng, Weijun.(2019).Structural evolution of linn+ (n=2, 4, 6, 8, and 10) clusters: mass spectrometry and theoretical calculations.Rsc advances,9(12),6762-6769.
MLA	Ge, Zhongxue,et al."Structural evolution of linn+ (n=2, 4, 6, 8, and 10) clusters: mass spectrometry and theoretical calculations".Rsc advances 9.12(2019):6762-6769.

个性服务

查看访问统计

相关权益政策

暂无数据

收藏/分享

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。